2-(1-ethenylcyclopentyl)-N,N-dimethylaniline

C15H21N — CID 146531668

IUPAC2-(1-ethenylcyclopentyl)-N,N-dimethylaniline
SMILESC=CC1(c2ccccc2N(C)C)CCCC1
InChIInChI=1S/C15H21N/c1-4-15(11-7-8-12-15)13-9-5-6-10-14(13)16(2)3/h4-6,9-10H,1,7-8,11-12H2,2-3H3
InChIKeyZDTRZSSQWYILFS-UHFFFAOYSA-N
MW215.34 g/mol
LogP3.75
Rot. Bonds3

About 2-(1-ethenylcyclopentyl)-N,N-dimethylaniline

2-(1-ethenylcyclopentyl)-N,N-dimethylaniline (PubChem CID 146531668) has the molecular formula C15H21N and a molecular weight of 215.34 g/mol. Its IUPAC name is 2-(1-ethenylcyclopentyl)-N,N-dimethylaniline.

Molecular Properties

Compound Name2-(1-ethenylcyclopentyl)-N,N-dimethylaniline
PubChem CID146531668
Molecular FormulaC15H21N
Molecular Weight215.34 g/mol
Exact Mass215.17
IUPAC Name2-(1-ethenylcyclopentyl)-N,N-dimethylaniline
SMILESC=CC1(c2ccccc2N(C)C)CCCC1
InChIInChI=1S/C15H21N/c1-4-15(11-7-8-12-15)13-9-5-6-10-14(13)16(2)3/h4-6,9-10H,1,7-8,11-12H2,2-3H3
InChIKeyZDTRZSSQWYILFS-UHFFFAOYSA-N
XLogP3.75
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.34
LogP ≤ 53.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(1-ethenylcyclopentyl)-N,N-dimethylaniline?
The IUPAC name of 2-(1-ethenylcyclopentyl)-N,N-dimethylaniline (CID 146531668) is 2-(1-ethenylcyclopentyl)-N,N-dimethylaniline.
What is the SMILES notation for 2-(1-ethenylcyclopentyl)-N,N-dimethylaniline?
The canonical SMILES for 2-(1-ethenylcyclopentyl)-N,N-dimethylaniline is C=CC1(c2ccccc2N(C)C)CCCC1.
What is the InChIKey of 2-(1-ethenylcyclopentyl)-N,N-dimethylaniline?
The InChIKey is ZDTRZSSQWYILFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N/c1-4-15(11-7-8-12-15)13-9-5-6-10-14(13)16(2)3/h4-6,9-10H,1,7-8,11-12H2,2-3H3.
What are the key properties of 2-(1-ethenylcyclopentyl)-N,N-dimethylaniline?
2-(1-ethenylcyclopentyl)-N,N-dimethylaniline has a molecular weight of 215.34 g/mol, XLogP of 3.75, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-ethenylcyclopentyl)-N,N-dimethylaniline is sourced from PubChem (CID 146531668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).